Marvin  04130816432D          

 10  9  0  0  0  0            999 V2000
    0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2357    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145   -1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <ID>
CHEBI:1449

> <NAME>
3-amino-2-oxopropyl phosphate

> <DEFINITION>
A oxoalkyl phosphate having 3-amino-2-oxopropyl as the oxoalkyl group.

> <STAR>
3

> <SYNONYM>
3-Amino-2-oxopropyl phosphate; 1-Amino-3-(phosphohydroxy)propan-2-one

> <IUPAC_NAME>
3-amino-2-oxopropyl dihydrogen phosphate

> <FORMULA>
C3H8NO5P

> <MASS>
169.07312

> <MONOISOTOPIC_MASS>
169.01401

> <CHARGE>
0

> <SMILES>
NCC(=O)COP(O)(O)=O

> <INCHI>
InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)

> <INCHIKEY>
HIQNVODXENYOFK-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C11638

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